1-[3-(dimethylamino)azetidin-1-yl]-2-(2-ethyloxan-4-yl)ethanone

C14H26N2O2 — CID 167787695

IUPAC1-[3-(dimethylamino)azetidin-1-yl]-2-(2-ethyloxan-4-yl)ethanone
SMILESCCC1CC(CC(=O)N2CC(N(C)C)C2)CCO1
InChIInChI=1S/C14H26N2O2/c1-4-13-7-11(5-6-18-13)8-14(17)16-9-12(10-16)15(2)3/h11-13H,4-10H2,1-3H3
InChIKeyPFIXOPQFAAFMHT-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.35
Rot. Bonds4

About 1-[3-(dimethylamino)azetidin-1-yl]-2-(2-ethyloxan-4-yl)ethanone

1-[3-(dimethylamino)azetidin-1-yl]-2-(2-ethyloxan-4-yl)ethanone (PubChem CID 167787695) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[3-(dimethylamino)azetidin-1-yl]-2-(2-ethyloxan-4-yl)ethanone.

Molecular Properties

Compound Name1-[3-(dimethylamino)azetidin-1-yl]-2-(2-ethyloxan-4-yl)ethanone
PubChem CID167787695
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[3-(dimethylamino)azetidin-1-yl]-2-(2-ethyloxan-4-yl)ethanone
SMILESCCC1CC(CC(=O)N2CC(N(C)C)C2)CCO1
InChIInChI=1S/C14H26N2O2/c1-4-13-7-11(5-6-18-13)8-14(17)16-9-12(10-16)15(2)3/h11-13H,4-10H2,1-3H3
InChIKeyPFIXOPQFAAFMHT-UHFFFAOYSA-N
XLogP1.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)azetidin-1-yl]-2-(2-ethyloxan-4-yl)ethanone?
The IUPAC name of 1-[3-(dimethylamino)azetidin-1-yl]-2-(2-ethyloxan-4-yl)ethanone (CID 167787695) is 1-[3-(dimethylamino)azetidin-1-yl]-2-(2-ethyloxan-4-yl)ethanone.
What is the SMILES notation for 1-[3-(dimethylamino)azetidin-1-yl]-2-(2-ethyloxan-4-yl)ethanone?
The canonical SMILES for 1-[3-(dimethylamino)azetidin-1-yl]-2-(2-ethyloxan-4-yl)ethanone is CCC1CC(CC(=O)N2CC(N(C)C)C2)CCO1.
What is the InChIKey of 1-[3-(dimethylamino)azetidin-1-yl]-2-(2-ethyloxan-4-yl)ethanone?
The InChIKey is PFIXOPQFAAFMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-13-7-11(5-6-18-13)8-14(17)16-9-12(10-16)15(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)azetidin-1-yl]-2-(2-ethyloxan-4-yl)ethanone?
1-[3-(dimethylamino)azetidin-1-yl]-2-(2-ethyloxan-4-yl)ethanone has a molecular weight of 254.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)azetidin-1-yl]-2-(2-ethyloxan-4-yl)ethanone is sourced from PubChem (CID 167787695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).